Optimization method for chemical reaction mechanism based on multi-objective algorithm and multi-criteria decision

CN122245478APending Publication Date: 2026-06-19HEBEI UNIV OF TECH +1

Patent Information

Authority / Receiving Office: CN · China
Patent Type: Applications(China)
Current Assignee / Owner: HEBEI UNIV OF TECH
Filing Date: 2026-04-15
Publication Date: 2026-06-19

AI Technical Summary

Technical Problem

Existing methods for constructing chemical reaction mechanisms rely on subjective experience, are time-consuming, and are difficult to achieve synergistic optimization of multiple performance constraints. Traditional optimization methods cannot maintain high accuracy under multiple operating conditions, and manual selection of the optimal solution lacks systematicity and repeatability.

Method used

A chemical reaction mechanism optimization method using multi-objective algorithms and multi-criteria decision-making is adopted. Through encoding processing, Pareto optimal front solution set screening and replacement, multi-objective collaborative optimization is achieved. The entropy weight method and TOPSIS method are used to objectively determine the weights and automatically screen the optimal solution.

Benefits of technology

It achieves multi-objective collaborative optimization, avoids subjective bias, improves the scientific nature of decision-making, automates the optimization process, has a wide range of applications, and is suitable for optimizing various chemical reaction mechanisms such as combustion reactions and industrial gas-phase reactions.

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Abstract

This application discloses a method for optimizing chemical reaction mechanisms based on multi-objective algorithms and multi-criteria decision-making. One specific implementation of this method includes: encoding each objective pre-exponential factor in a pre-acquired basic chemical reaction mechanism file to obtain the encoding of the variable to be optimized; optimizing the encoding of the variable to be optimized to obtain a Pareto optimal front solution set; filtering the Pareto optimal front solution set to obtain the optimal chemical reaction mechanism; and replacing the optimal chemical reaction mechanism with the basic chemical reaction mechanism file to obtain a high-precision chemical reaction mechanism. This implementation is related to the optimization of chemical reaction kinetic mechanisms, is universal and unrestricted, and has a wide range of applications: it is not limited to fuel type or reaction system, and can be used to optimize various chemical reaction mechanisms such as combustion reactions and industrial gas-phase reactions, exhibiting extremely strong compatibility.

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